SCHEMBL4358501

SCHEMBL4358501

Cc1c(O)ccc2cc(C=O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
KDM4E B2RXH2 1/20 0.52
PTGS2 P35354 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 3/20 0.47
ALDH5A1 P51649 3/20 0.47
ABAT P80404 3/20 0.47
TRIM24 O15164 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
ERN1 O75460 6/20 0.44
AOX1 Q06278 1/20 0.43
MAOB P27338 1/20 0.40
CYP2A6 P11509 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10331755 0.81 KDM4E (0.55) ESR1ESR2KDM4EPTGS2RAB9A
SCHEMBL14388339 0.80 CYP2A6 (0.40) KDM4EPTGS2RAB9AALDH1A1HPGD
SCHEMBL5085007 0.79 ALDH1A3 (0.40) KDM4EPTGS2RAB9AALDH1A1ERN1
SCHEMBL9007565 0.79 ESR1 (0.53) ESR1ESR2KDM4EPTGS2RAB9A
SCHEMBL18998873 0.79 KDM4E (0.52) ESR1ESR2KDM4EPTGS2RAB9A
SCHEMBL10827942 0.79 ESR1 (0.54) ESR1ESR2KDM4EPTGS2RAB9A
SCHEMBL4362335 0.79 ESR1 (0.53) ESR1ESR2KDM4EPTGS2RAB9A
SCHEMBL4357384 0.78 ESR1 (0.56) ESR1ESR2KDM4EPTGS2RAB9A
SCHEMBL9127399 0.78 CYP2A6 (0.48) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL12143567 0.76 ALDH1A1 (0.58) KDM4EALDH1A1ALDH5A1ABATTRIM24

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7540991-B2 Molecular chains of the liquid crystalline polymer (e.g. polybenzoxazole, polybenzothiazole, and polybenzimidazole) having an ionic disosciative group and molecular chain orientated in a specific direction; allows permeation of hydrogen ions generated at a fuel electrode (anode) to cathode POLYMATECH CO., LTD. (JP) 2009-06-02 US disclosed
EP-1615286-B1 Ion conductive polymer electrolyte membrane and production method for the same POLYMATECH CO LTD (JP) 2007-09-12 EP disclosed
EP-1615286-A1 Ion conductive polymer electrolyte membrane and production method for the same Polymatech Co., Ltd. (JP) 2006-01-11 EP disclosed
US-20060004112-A1 Molecular chains of the liquid crystalline polymer (e.g. polybenzoxazole, polybenzothiazole, and polybenzimidazole) having an ionic disosciative group and molecular chain orientated in a specific direction; allows permeation of hydrogen ions generated at a fuel electrode (anode) to cathode POLYMATECH CO., LTD. 2006-01-05 US disclosed
US-4626584-A Crosslinkable thermotropic polyesters derived from allylically substituted hydroxybenzoic acid and a process for preparing a shaped article of the polyesters CELANESE CORPORATION (US) 1986-12-02 US disclosed